4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide

C17H25N3O3 — CID 119299396

IUPAC4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide
SMILESNCCCC(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C17H25N3O3/c18-10-1-2-16(21)19-11-9-13-3-7-15(8-4-13)23-12-17(22)20-14-5-6-14/h3-4,7-8,14H,1-2,5-6,9-12,18H2,(H,19,21)(H,20,22)
InChIKeyQAWAJQUIWAMAQC-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.74
Rot. Bonds10

About 4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide

4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide (PubChem CID 119299396) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide
PubChem CID119299396
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide
SMILESNCCCC(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C17H25N3O3/c18-10-1-2-16(21)19-11-9-13-3-7-15(8-4-13)23-12-17(22)20-14-5-6-14/h3-4,7-8,14H,1-2,5-6,9-12,18H2,(H,19,21)(H,20,22)
InChIKeyQAWAJQUIWAMAQC-UHFFFAOYSA-N
XLogP0.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methylamino)acetamide
CID 119741723
1-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119741706
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 119299388
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(phenylcarbamoylamino)propanamide
CID 55893945
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55947486
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide
CID 60537612
3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
CID 79385591
ethyl 4-[N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111163827
3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119741718
2-[4-[2-[[amino-(2-phenylethylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075226
N-cyclopropyl-2-[4-[2-[(N-ethyl-N'-pentylcarbamimidoyl)amino]ethyl]phenoxy]acetamide
CID 111130382
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide (CID 119299396) is 4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide is NCCCC(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of 4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide?
The InChIKey is QAWAJQUIWAMAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c18-10-1-2-16(21)19-11-9-13-3-7-15(8-4-13)23-12-17(22)20-14-5-6-14/h3-4,7-8,14H,1-2,5-6,9-12,18H2,(H,19,21)(H,20,22).
What are the key properties of 4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide?
4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide has a molecular weight of 319.40 g/mol, XLogP of 0.74, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide is sourced from PubChem (CID 119299396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).